Geometry & MOs

Info

ID:	433834
PubChem CID:	135173977
Reduced:	SF2O2N3H23C24 (1)
Stoich.:	AB2C2D3E23F24 (1)
Weight, g/mol:	574.216238
ΔH_f, kcal/mol:	-101.14
Dipole, Da:	3.0
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-tert-butyl-6-(dibenzylamino)-2-(2-fluoro-4-methylsulfonylanilino)-7H-purin-8-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)CC2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)C)F

DOS

IR

Vibrations